4-(3-methyl-2,3-dihydronaphthalen-1-yl)-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine

C52H36N2O — CID 130379192

IUPAC4-(3-methyl-2,3-dihydronaphthalen-1-yl)-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
SMILESCC1C=c2ccccc2=C(c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)n2)C1
InChIInChI=1S/C52H36N2O/c1-33-28-37-16-5-6-19-39(37)42(29-33)48-32-47(34-14-3-2-4-15-34)53-51(54-48)38-18-13-17-35(30-38)36-26-27-46-50(31-36)55-49-25-12-11-24-45(49)52(46)43-22-9-7-20-40(43)41-21-8-10-23-44(41)52/h2-28,30-33H,29H2,1H3
InChIKeyADZXRIDRDHHHEM-UHFFFAOYSA-N
MW704.87 g/mol
LogP10.97
Rot. Bonds4

About 4-(3-methyl-2,3-dihydronaphthalen-1-yl)-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine

4-(3-methyl-2,3-dihydronaphthalen-1-yl)-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine (PubChem CID 130379192) has the molecular formula C52H36N2O and a molecular weight of 704.87 g/mol. Its IUPAC name is 4-(3-methyl-2,3-dihydronaphthalen-1-yl)-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(3-methyl-2,3-dihydronaphthalen-1-yl)-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
PubChem CID130379192
Molecular FormulaC52H36N2O
Molecular Weight704.87 g/mol
Exact Mass704.28
IUPAC Name4-(3-methyl-2,3-dihydronaphthalen-1-yl)-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
SMILESCC1C=c2ccccc2=C(c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)n2)C1
InChIInChI=1S/C52H36N2O/c1-33-28-37-16-5-6-19-39(37)42(29-33)48-32-47(34-14-3-2-4-15-34)53-51(54-48)38-18-13-17-35(30-38)36-26-27-46-50(31-36)55-49-25-12-11-24-45(49)52(46)43-22-9-7-20-40(43)41-21-8-10-23-44(41)52/h2-28,30-33H,29H2,1H3
InChIKeyADZXRIDRDHHHEM-UHFFFAOYSA-N
XLogP10.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.87
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389330
4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 155305190
4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389218
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292
4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947343
4-phenyl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine
CID 137388581
2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine
CID 166650929
4,6-bis(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 157164289
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389326
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378933
4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389240

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2,3-dihydronaphthalen-1-yl)-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The IUPAC name of 4-(3-methyl-2,3-dihydronaphthalen-1-yl)-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine (CID 130379192) is 4-(3-methyl-2,3-dihydronaphthalen-1-yl)-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(3-methyl-2,3-dihydronaphthalen-1-yl)-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The canonical SMILES for 4-(3-methyl-2,3-dihydronaphthalen-1-yl)-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine is CC1C=c2ccccc2=C(c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)n2)C1.
What is the InChIKey of 4-(3-methyl-2,3-dihydronaphthalen-1-yl)-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The InChIKey is ADZXRIDRDHHHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O/c1-33-28-37-16-5-6-19-39(37)42(29-33)48-32-47(34-14-3-2-4-15-34)53-51(54-48)38-18-13-17-35(30-38)36-26-27-46-50(31-36)55-49-25-12-11-24-45(49)52(46)43-22-9-7-20-40(43)41-21-8-10-23-44(41)52/h2-28,30-33H,29H2,1H3.
What are the key properties of 4-(3-methyl-2,3-dihydronaphthalen-1-yl)-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
4-(3-methyl-2,3-dihydronaphthalen-1-yl)-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine has a molecular weight of 704.87 g/mol, XLogP of 10.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2,3-dihydronaphthalen-1-yl)-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine is sourced from PubChem (CID 130379192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).